Novel pyrrolopyridinone derivatives as anticancer inhibitors towards Cdc7: QSAR studies based on dockings by solvation score approach
X Wu, H Zeng, X Zhu, Q Ma, Y Hou, X Wu - European Journal of …, 2013 - Elsevier
A series of pyrrolopyridinone derivatives as specific inhibitors towards the cell division cycle
7 (Cdc7) was taken into account, and the efficacy of these compounds was analyzed by
QSAR and docking approaches to gain deeper insights into the interaction mechanism and
ligands selectivity for Cdc7. By regression analysis the prediction models based on Grid
score and Zou-GB/SA score were found, respectively with good quality of fits (r 2= 0.748,
0.951; r cv 2= 0.712, 0.839). The accuracy of the models was validated by test set and the …
7 (Cdc7) was taken into account, and the efficacy of these compounds was analyzed by
QSAR and docking approaches to gain deeper insights into the interaction mechanism and
ligands selectivity for Cdc7. By regression analysis the prediction models based on Grid
score and Zou-GB/SA score were found, respectively with good quality of fits (r 2= 0.748,
0.951; r cv 2= 0.712, 0.839). The accuracy of the models was validated by test set and the …
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